Home Sulfos 2-amino-4-(S-methylsulfonimidoyl)butanoic acid

2-amino-4-(S-methylsulfonimidoyl)butanoic acid

CAS No.:
1982-67-8
Catalog Number:
AG00JCAI
Molecular Formula:
C5H12N2O3S
Molecular Weight:
180.2254
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Product Description
Catalog Number:
AG00JCAI
Chemical Name:
2-amino-4-(S-methylsulfonimidoyl)butanoic acid
CAS Number:
1982-67-8
Molecular Formula:
C5H12N2O3S
Molecular Weight:
180.2254
MDL Number:
MFCD00063094
IUPAC Name:
2-amino-4-(methylsulfonimidoyl)butanoic acid
InChI:
InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)
InChI Key:
SXTAYKAGBXMACB-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCS(=O)(=N)C)N
EC Number:
217-845-8
NSC Number:
49169
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.057g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
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